In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](22:2(13Z,16Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019DRP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1070.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PYDUNKZOUQNSDC-MLHSBCQYSA-N
InChi (Click to copy)
InChI=1S/C49H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h6,8,10-14,16-19,23,41,44-49,52-54H,3-5,7,9,15,20-22,24-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b8-6+,12-10+,13-11-,16-14+,19-17-,23-18+/t41-,44?,45?,46?,47+,48?,49+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O